500 Lattice="17.84514024337909 0.0 0.0 0.0 17.84514024337909 0.0 0.0 0.0 17.84514024337909" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1618.8019676055926 stress="-9.469236354324874 0.9143297516579612 -0.5691525134176629 0.9143297516579612 -8.356724805936295 0.9426022309962434 -0.5691525134176629 0.9426022309962434 -8.697748715976836" pbc="F F F" Cu -0.01861213 -0.02180806 -0.03562856 0.77297824 0.75227600 0.76281069 Cu 1.80723022 1.77597618 -0.01446213 -0.33026737 -0.14613051 0.17028509 Cu 1.78122944 -0.01525829 1.79999618 -0.15341618 0.15702919 -0.24441180 Cu -0.01692106 1.77701665 1.77792105 0.13833249 -0.26879977 -0.26056941 Cu 3.57138002 -0.00388525 -0.01376523 -0.04289254 0.35654154 0.43339747 Cu 5.32733732 1.78971109 0.00806533 0.23360470 -0.25321109 -0.17226138 Cu 5.36917180 -0.03122498 1.77673501 -0.15049302 -0.01098794 -0.19501099 Cu 3.58544028 1.78512572 1.75904883 -0.32775435 -0.23405604 0.13155846 Cu 7.12276247 0.03262163 -0.03310694 -0.01935762 0.35562714 0.45497403 Cu 8.90008116 1.77324242 -0.01813957 -0.00025163 -0.13444541 0.16563374 Cu 8.86353958 -0.02681589 1.81466124 0.17336511 0.03551565 -0.35287830 Cu 7.11608733 1.78885886 1.81757031 0.07651789 -0.21768348 -0.48536753 Cu 10.71966529 0.02853496 -0.01231970 -0.16341217 0.28008647 0.46185801 Cu 12.47842002 1.74581057 -0.00369476 -0.04412090 0.07576939 -0.13406249 Cu 12.50512253 -0.01442137 1.78244393 -0.11787213 -0.07596961 -0.08519591 Cu 10.67995808 1.75114109 1.81192357 0.07051665 -0.02223642 -0.22806749 Cu 14.27879234 0.02547369 -0.01483283 0.09010634 0.34808957 0.48004571 Cu 16.05754976 1.77400619 0.03246890 -0.46358919 0.02433228 0.47181690 Cu 16.06233242 0.00830213 1.82768714 -0.52899193 0.49276766 -0.11120492 Cu 14.24094475 1.77238368 1.74791251 0.45661870 -0.13576811 0.07723302 Cu 0.00415622 3.57874287 0.01706606 0.42232042 -0.09876867 0.33167238 Cu 1.78788257 5.38903892 0.02891306 -0.17261586 -0.27124786 -0.35268973 Cu 1.75742356 3.59248085 1.81186449 0.18648378 -0.37456081 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0.16828087 -0.08628627 Cu 5.39061847 12.45884207 0.01731291 -0.10992147 0.09313160 -0.14849361 Cu 5.33831896 10.67418821 1.77447589 0.21482016 0.32163390 0.20288601 Cu 3.55723405 12.49833207 1.78545235 0.13570217 -0.15594620 -0.01794374 Cu 7.15599232 10.67285462 -0.01078961 0.05559795 0.09133419 -0.03200863 Cu 8.91992643 12.48541707 -0.03227632 0.09389964 -0.00897823 -0.09963574 Cu 8.93857860 10.73962204 1.80093090 -0.16426785 -0.14251837 -0.12782555 Cu 7.16535712 12.52507642 1.75780457 -0.17632759 -0.53429582 0.13091653 Cu 10.71904324 10.72497953 0.02155950 0.06301057 -0.16813985 -0.14796383 Cu 12.51155256 12.47564804 -0.01978410 -0.16543328 0.25411810 -0.03932079 Cu 12.53037453 10.74234593 1.80617443 -0.12755132 -0.31235466 -0.28006606 Cu 10.72423282 12.47623461 1.78404568 -0.01566499 0.37835534 -0.23872701 Cu 14.27813028 10.74241129 0.00876127 0.27295550 -0.20504179 -0.14194610 Cu 16.06546616 12.50014774 -0.00932964 -0.35540039 0.08216330 0.43303221 Cu 16.06423013 10.73499519 1.81549988 0.06765657 -0.21607833 -0.38829811 Cu 14.29435226 12.51545694 1.75874734 -0.05834019 -0.08763375 0.11069605 Cu 0.01520861 14.30854212 0.01627232 0.51207170 -0.18356721 0.47309722 Cu 1.76386944 16.06341111 0.01647150 0.20477079 -0.54447148 0.53250906 Cu 1.79307952 14.26279566 1.80908480 0.01165634 0.37222836 -0.31201598 Cu 0.00933725 16.04431289 1.76770792 0.44254435 -0.33997992 0.04674726 Cu 3.60349319 14.25395804 -0.02164246 -0.11241981 0.27154923 0.15840671 Cu 5.31798045 16.09243004 -0.00460345 0.14503691 -0.56476594 0.54396886 Cu 5.36796963 14.24832757 1.81387020 -0.11841624 0.35141869 -0.51829315 Cu 3.60457135 16.08337804 1.81175152 -0.24062633 -0.20013337 -0.26004397 Cu 7.16316302 14.27506337 0.00831865 -0.27391330 0.32989344 -0.22295884 Cu 8.94567262 16.07055171 0.02439979 -0.10488228 -0.28160267 0.32449332 Cu 8.88767059 14.25658631 1.75175907 0.55526242 0.35620365 0.08122930 Cu 7.15046000 16.05561935 1.81485658 -0.11188996 0.11643984 -0.37130482 Cu 10.68368491 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0.22969392 -0.28119025 0.09354038 Cu 5.32896079 5.34256127 14.29620774 0.27590697 0.07699467 -0.10238161 Cu 5.32379585 3.54127146 16.04126945 0.12308567 0.04784431 0.20083814 Cu 3.58312369 5.31293660 16.05173915 -0.25146172 0.13156145 0.21548498 Cu 7.11692949 3.55180104 14.25623822 0.25152435 0.26055219 0.29136146 Cu 8.94103421 5.37567831 14.26741899 -0.30667574 -0.35665516 0.30201101 Cu 8.94987542 3.56314218 16.07642393 -0.28227783 0.01590456 0.06582242 Cu 7.14274513 5.37926991 16.08832719 0.01241413 -0.23849383 -0.11712576 Cu 10.68369929 3.53609242 14.30114440 0.22211375 0.29525933 -0.09749147 Cu 12.47547438 5.37173225 14.28880668 0.14630657 -0.18293177 0.08153097 Cu 12.50063478 3.54623756 16.08062839 -0.00172299 0.18902047 0.09458707 Cu 10.69387670 5.32852429 16.06756753 0.04511183 0.14888394 0.10830540 Cu 14.24829178 3.54111166 14.25014041 0.34419930 0.21826262 0.42764898 Cu 16.04236511 5.36986045 14.24444449 0.07804790 -0.24949982 0.46236640 Cu 16.02538365 3.53138500 16.09401074 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0.40036715 0.13448579 0.22405309 Cu 12.49999216 8.95610375 14.28166601 0.15558319 -0.40928524 0.13224700 Cu 12.48091213 7.11386531 16.09419594 0.13709515 0.12093539 -0.07775787 Cu 10.75266832 8.89480301 16.08759354 -0.18196079 0.20315576 0.03197930 Cu 14.30301572 7.12158160 14.25707792 -0.16148997 0.19651794 0.52076524 Cu 16.04746690 8.94407797 14.27159113 0.14151649 -0.05524309 0.25701995 Cu 16.05262446 7.15739554 16.07108490 -0.40410835 -0.05126226 -0.44377618 Cu 14.28568616 8.93037370 16.08820777 0.05209494 -0.04767361 -0.10383961 Cu -0.03325951 10.73575713 14.28965077 0.07816905 -0.08122270 0.19101763 Cu 1.76805801 12.47593202 14.29593790 -0.11242646 0.00914656 0.10010895 Cu 1.80566701 10.67568237 16.09605634 -0.31693208 0.14202452 -0.07442536 Cu -0.03369317 12.48060587 16.07517581 0.55153164 0.05867299 -0.41633201 Cu 3.54914589 10.73243184 14.25370923 0.04928231 -0.19285644 0.16482266 Cu 5.36853548 12.47038156 14.24849575 0.05043572 0.22923343 0.28211655 Cu 5.35063464 10.70630785 16.03428712 0.10628615 0.06273863 0.10152776 Cu 3.54870087 12.48390379 16.04962718 0.13511312 0.04281914 0.13684169 Cu 7.16612411 10.72795826 14.28969132 -0.19885561 -0.17962255 -0.12250968 Cu 8.88938267 12.50687450 14.25932455 0.33518639 -0.23283070 0.19153738 Cu 8.90890783 10.72444284 16.05304100 0.16610717 -0.10970125 0.12491250 Cu 7.15019822 12.53180909 16.09261242 -0.09398095 -0.17279725 0.00597151 Cu 10.70698438 10.67962623 14.26652684 -0.10963170 0.30803433 0.32628009 Cu 12.52460162 12.48143383 14.24015948 -0.22353647 0.17403772 0.31379943 Cu 12.51872417 10.73530633 16.03231667 -0.09540342 -0.07696513 0.23547826 Cu 10.71851325 12.49755407 16.05598456 -0.04383449 -0.00612106 -0.04559181 Cu 14.29295725 10.72757911 14.27805247 0.13648635 -0.10232958 0.11383872 Cu 16.06487757 12.45776782 14.26000588 0.11170399 0.15083126 0.25272766 Cu 16.06736587 10.73381113 16.09100120 -0.49374342 -0.02747301 -0.44971853 Cu 14.24422510 12.53055514 16.05699709 0.43000236 -0.19613629 0.22916761 Cu 0.03458170 14.25833932 14.26220371 -0.18054526 0.28171107 0.39410771 Cu 1.79625651 16.04619011 14.25573141 -0.17587327 0.10832980 0.25082945 Cu 1.79958998 14.28134167 16.06239125 -0.32146235 0.19023541 0.04088066 Cu -0.00695872 16.09469470 16.04752360 0.72916627 -0.74965471 -0.72768781 Cu 3.55529004 14.28735883 14.30169405 0.03624738 0.04214082 -0.09637508 Cu 5.34223917 16.04472343 14.28745354 0.02462682 0.10171406 -0.08310549 Cu 5.38120538 14.26128057 16.02779481 -0.16067780 0.06478595 0.12853168 Cu 3.60268366 16.06420693 16.07420820 -0.10392560 -0.40266095 -0.38064134 Cu 7.16950708 14.27797341 14.24872290 -0.33863116 0.23393391 0.19206936 Cu 8.93350207 16.08619553 14.24082865 -0.01952060 0.01799061 0.22920947 Cu 8.90499824 14.27362832 16.04784407 0.18324599 0.27754569 0.07024620 Cu 7.11579499 16.04093740 16.03552646 0.11650778 -0.29407236 -0.33892966 Cu 10.67742069 14.26349421 14.25901078 0.27417860 0.28720335 0.34143867 Cu 12.47699085 16.07776193 14.28595063 0.15352191 -0.15349592 0.20671813 Cu 12.50208904 14.27127410 16.07132423 -0.17278870 0.33181506 -0.07070029 Cu 10.69548472 16.09258803 16.07612704 -0.00211460 -0.57468287 -0.53292357 Cu 14.29489518 14.24162393 14.32782095 0.03827082 0.59652671 -0.20195653 Cu 16.05764259 16.03321095 14.30042717 -0.50292137 -0.36885564 -0.06818932 Cu 16.07393675 14.31051637 16.04511766 -0.45278085 -0.13293283 -0.37017318 Cu 14.29911646 16.09140668 16.09051075 -0.07261186 -0.61031949 -0.60495334